o-Iodonitrobenzene
TL;DR: o-Iodonitrobenzene (CAS 609-73-4) is a chemical compound with molecular formula C6H4INO2 and molecular weight 248.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-iodo-2-nitrobenzene
Also Known As: 1-Iodo-2-nitrobenzene, 2-Iodonitrobenzene, 2-Nitroiodobenzene, o-Iodonitrobenzene, o-Nitroiodobenzene
| Molecular Formula | C6H4INO2 |
|---|---|
| Molecular Weight | 248.93 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 248.92868 |
| Heavy Atoms | 10 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 609-73-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])I |
| InChIKey | JXMZUNPWVXQADG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
o-Iodonitrobenzene (CAS 609-73-4), with molecular formula C6H4INO2 and molecular weight 248.93 g/mol. IUPAC: 1-iodo-2-nitrobenzene.
Chemical Property Profile of o-Iodonitrobenzene
Property Insights of o-Iodonitrobenzene
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Iodonitrobenzene. With a topological polar surface area (TPSA) of 45.8 Ų, o-Iodonitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Iodonitrobenzene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of o-Iodonitrobenzene?
The CAS number of o-Iodonitrobenzene is 609-73-4.
What is the molecular formula of o-Iodonitrobenzene?
The molecular formula of o-Iodonitrobenzene is C6H4INO2.
What is the molecular weight of o-Iodonitrobenzene?
The molecular weight of o-Iodonitrobenzene is 248.93 g/mol.
Where can I buy o-Iodonitrobenzene?
You can request a quote for o-Iodonitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Iodonitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for o-Iodonitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.